Geometry & MOs

Info

ID:	330301
PubChem CID:	127247288
Reduced:	ON6C17H20 (1)
Stoich.:	AB6C17D20 (1)
Weight, g/mol:	325.153875
ΔH_f, kcal/mol:	62.02
Dipole, Da:	3.81
IP(EA), eV:	-9.49(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=CC=NN2)C(=O)CCN3C4=CC=CC=C4N=N3

DOS

IR

Vibrations